4-tert-butyl-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxo-propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]propyl]benzamide Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C27H37N3O3/c1-27(2,3)22-11-7-21(8-12-22)26(32)28-16-15-25(31)29-19-24(30-17-5-6-18-30)20-9-13-23(33-4)14-10-20/h7-14,24H,5-6,15-19H2,1-4H3,(H,28,32)(H,29,31)/p+1/t24-/m0/s1