1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-[(3-chlorophenyl)methyl]-4-piperidyl]azepan-1-ium CAS Name: 1-[1-[(3-chlorophenyl)methyl]-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(3-chlorobenzyl)-4-piperidyl]azepan-1-ium Formula: C18H28ClN2+ MolecularWeight: 307.88132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2/c19-17-7-5-6-16(14-17)15-20-12-8-18(9-13-20)21-10-3-1-2-4-11-21/h5-7,14,18H,1-4,8-13,15H2/p+1