(3S)-1-(4-methoxynaphthalen-1-yl)carbonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methoxynaphthalen-1-yl)carbonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-methoxynaphthalene-1-carbonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-methoxy-1-naphthalenyl)-oxomethyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methoxynaphthalene-1-carbonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-methoxy-1-naphthoyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]nipecotamide Formula: C30H36N3O3+ MolecularWeight: 486.62514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CCCC(C3)C(=O)NCC4=CC=CC=C4C[NH+]5CCCC5

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CCC[C@@H](C3)C(=O)NCC4=CC=CC=C4C[NH+]5CCCC5

InChI

InChI=1S/C30H35N3O3/c1-36-28-15-14-27(25-12-4-5-13-26(25)28)30(35)33-18-8-11-24(21-33)29(34)31-19-22-9-2-3-10-23(22)20-32-16-6-7-17-32/h2-5,9-10,12-15,24H,6-8,11,16-21H2,1H3,(H,31,34)/p+1/t24-/m0/s1