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

Systemtic Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-phenyl-methanone Openeye Name: [4-(azepan-1-ium-1-yl)-1-piperidyl]-phenyl-methanone CAS Name: [4-(1-azepan-1-iumyl)-1-piperidinyl]-phenylmethanone IUPAC Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-phenylmethanone Traditional Name: [4-(azepan-1-ium-1-yl)piperidino]-phenyl-methanone Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O/c21-18(16-8-4-3-5-9-16)20-14-10-17(11-15-20)19-12-6-1-2-7-13-19/h3-5,8-9,17H,1-2,6-7,10-15H2/p+1