1-[4-(phenylmethyl)piperidin-1-yl]-2-piperazin-1-ium-1-yl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-piperazin-1-ium-1-yl-ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-piperazin-1-ium-1-yl-ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-(1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-piperazin-1-ium-1-ylethanone Traditional Name: 1-(4-benzylpiperidino)-2-piperazin-1-ium-1-yl-ethanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[NH+]3CCNCC3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[NH+]3CCNCC3

InChI

InChI=1S/C18H27N3O/c22-18(15-20-12-8-19-9-13-20)21-10-6-17(7-11-21)14-16-4-2-1-3-5-16/h1-5,17,19H,6-15H2/p+1