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

Systemtic Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C23H39N3+2 MolecularWeight: 357.57586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H37N3/c1-20-6-5-9-23(18-20)26-16-14-25(15-17-26)22-10-12-24(13-11-22)19-21-7-3-2-4-8-21/h2-4,7-8,20,22-23H,5-6,9-19H2,1H3/p+2/t20-,23-/m0/s1