1-[(phenylmethyl)carbamoylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide

Systemtic Name: 1-[(phenylmethyl)carbamoylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide Openeye Name: 1-(benzylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]cyclopentanecarboxamide CAS Name: 1-[[oxo-[(phenylmethyl)amino]methyl]amino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-cyclopentanecarboxamide IUPAC Name: 1-(benzylcarbamoylamino)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide Traditional Name: 1-(benzylcarbamoylamino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]cyclopentanecarboxamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O2/c31-24(27-18-22-10-12-23(13-11-22)20-30-16-6-7-17-30)26(14-4-5-15-26)29-25(32)28-19-21-8-2-1-3-9-21/h1-3,8-13H,4-7,14-20H2,(H,27,31)(H2,28,29,32)/p+1