1-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-(4-benzylpiperazin-1-ium-1-yl)-1-piperidyl]ethanone CAS Name: 1-[4-[4-(phenylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-(4-benzylpiperazin-1-ium-1-yl)piperidin-1-yl]ethanone Traditional Name: 1-[4-(4-benzylpiperazin-1-ium-1-yl)piperidino]ethanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O/c1-16(22)20-9-7-18(8-10-20)21-13-11-19(12-14-21)15-17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3/p+1