N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O/c26-22(23-13-12-20-8-3-1-4-9-20)19-25-15-7-14-24(16-17-25)18-21-10-5-2-6-11-21/h2,5-6,8,10-11H,1,3-4,7,9,12-19H2,(H,23,26)/p+1