1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(azepan-1-ium-1-yl)-1-piperidyl]-2-phenyl-ethanone CAS Name: 1-[4-(1-azepan-1-iumyl)-1-piperidinyl]-2-phenylethanone IUPAC Name: 1-[4-(azepan-1-ium-1-yl)piperidin-1-yl]-2-phenylethanone Traditional Name: 1-[4-(azepan-1-ium-1-yl)piperidino]-2-phenyl-ethanone Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H28N2O/c22-19(16-17-8-4-3-5-9-17)21-14-10-18(11-15-21)20-12-6-1-2-7-13-20/h3-5,8-9,18H,1-2,6-7,10-16H2/p+1