N-[(2R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(2R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzamide Openeye Name: N-[(1R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-[(2R)-1-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide IUPAC Name: N-[(2R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide Traditional Name: N-[(1R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-methyl-propyl]-4-methyl-benzamide Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC(C2=CC=CC=C2OC)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)NC[C@@H](C2=CC=CC=C2OC)[NH+]3CCCC3

InChI

InChI=1S/C26H35N3O3/c1-18(2)24(28-25(30)20-13-11-19(3)12-14-20)26(31)27-17-22(29-15-7-8-16-29)21-9-5-6-10-23(21)32-4/h5-6,9-14,18,22,24H,7-8,15-17H2,1-4H3,(H,27,31)(H,28,30)/p+1/t22-,24+/m0/s1