phenyl-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: phenyl-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidin-1-yl]methanone Openeye Name: phenyl-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)-1-piperidyl]methanone CAS Name: phenyl-[(2S)-2-[2-(1-piperazin-4-iumyl)ethyl]-1-piperidinyl]methanone IUPAC Name: phenyl-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidin-1-yl]methanone Traditional Name: phenyl-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidino]methanone Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCN2CC[NH2+]CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN([C@@H](C1)CCN2CC[NH2+]CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H27N3O/c22-18(16-6-2-1-3-7-16)21-12-5-4-8-17(21)9-13-20-14-10-19-11-15-20/h1-3,6-7,17,19H,4-5,8-15H2/p+1/t17-/m0/s1