[(1S,2R,4S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-cyclohexyl]azanium

Systemtic Name: [(1S,2R,4S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-cyclohexyl]azanium Openeye Name: [(1S,2R,4S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-cyclohexyl]ammonium CAS Name: [(1S,2R,4S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-4-phenylcyclohexyl]ammonium IUPAC Name: [(1S,2R,4S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenylcyclohexyl]azanium Traditional Name: [(1S,2R,4S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-cyclohexyl]ammonium Formula: C18H30N2+2 MolecularWeight: 274.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2CC(CCC2[NH3+])C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H]2C[C@H](CC[C@@H]2[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C18H28N2/c1-14-6-5-11-20(13-14)18-12-16(9-10-17(18)19)15-7-3-2-4-8-15/h2-4,7-8,14,16-18H,5-6,9-13,19H2,1H3/p+2/t14-,16-,17-,18+/m0/s1