1-[1-[(1S,3S)-3-methylcyclohexyl]piperidin-4-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-[(1S,3S)-3-methylcyclohexyl]piperidin-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-[(1S,3S)-3-methylcyclohexyl]-4-piperidyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-[(1S,3S)-3-methylcyclohexyl]-4-piperidinyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-[(1S,3S)-3-methylcyclohexyl]piperidin-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-[(1S,3S)-3-methylcyclohexyl]-4-piperidyl]-4-phenyl-piperazin-1-ium Formula: C22H36N3+ MolecularWeight: 342.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)N2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H35N3/c1-19-6-5-9-22(18-19)23-12-10-21(11-13-23)25-16-14-24(15-17-25)20-7-3-2-4-8-20/h2-4,7-8,19,21-22H,5-6,9-18H2,1H3/p+1/t19-,22-/m0/s1