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

Systemtic Name: methyl-[1-[(1R,3S)-3-methylcyclohexyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[1-[(1R,3S)-3-methylcyclohexyl]piperidin-1-ium-4-yl]ammonium CAS Name: methyl-[1-[(1R,3S)-3-methylcyclohexyl]-4-piperidin-1-iumyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[1-[(1R,3S)-3-methylcyclohexyl]piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-methyl-[1-[(1R,3S)-3-methylcyclohexyl]piperidin-1-ium-4-yl]ammonium Formula: C20H34N2+2 MolecularWeight: 302.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCC(CC2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCC(CC2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C20H32N2/c1-17-7-6-10-20(15-17)22-13-11-19(12-14-22)21(2)16-18-8-4-3-5-9-18/h3-5,8-9,17,19-20H,6-7,10-16H2,1-2H3/p+2/t17-,20+/m0/s1