2-[(4-methoxyphenyl)carbonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-[(4-methoxyphenyl)carbonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-(p-anisoylamino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C27H29N3O3/c1-33-23-14-12-22(13-15-23)26(31)29-25-7-3-2-6-24(25)27(32)28-18-20-8-10-21(11-9-20)19-30-16-4-5-17-30/h2-3,6-15H,4-5,16-19H2,1H3,(H,28,32)(H,29,31)/p+1