N-[(2R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C29H44N3O3+ MolecularWeight: 482.67796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CC=C1OC)[NH+]2CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@H](C(=O)NC[C@@H](C1=CC=CC=C1OC)[NH+]2CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H43N3O3/c1-19(2)26(31-28(34)29-15-20-12-21(16-29)14-22(13-20)17-29)27(33)30-18-24(32-10-6-7-11-32)23-8-4-5-9-25(23)35-3/h4-5,8-9,19-22,24,26H,6-7,10-18H2,1-3H3,(H,30,33)(H,31,34)/p+1/t20?,21?,22?,24-,26+,29?/m0/s1