1-[1-[(1S,3R)-3-methylcyclohexyl]piperidin-1-ium-4-yl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[1-[(1S,3R)-3-methylcyclohexyl]piperidin-1-ium-4-yl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[1-[(1S,3R)-3-methylcyclohexyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-[1-[(1S,3R)-3-methylcyclohexyl]-4-piperidin-1-iumyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[1-[(1S,3R)-3-methylcyclohexyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[1-[(1S,3R)-3-methylcyclohexyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Formula: C23H40N3+3 MolecularWeight: 358.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H37N3/c1-20-6-5-9-23(18-20)25-12-10-22(11-13-25)26-16-14-24(15-17-26)19-21-7-3-2-4-8-21/h2-4,7-8,20,22-23H,5-6,9-19H2,1H3/p+3/t20-,23+/m1/s1