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

Systemtic Name: 2-phenyl-1-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-phenyl-1-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-phenyl-1-[4-(4-piperidin-1-iumylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-phenyl-1-[4-(piperidin-1-ium-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-phenyl-1-[4-(piperidin-1-ium-4-ylmethyl)piperazino]ethanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CN2CCN(CC2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCC1CN2CCN(CC2)C(=O)CC3=CC=CC=C3

InChI

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