[(1S,3S)-3-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]methylazanium

Systemtic Name: [(1S,3S)-3-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]methylazanium Openeye Name: [(1S,3S)-3-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]methylammonium CAS Name: [(1S,3S)-3-methyl-1-(4-phenyl-1-piperazinyl)cyclohexyl]methylammonium IUPAC Name: [(1S,3S)-3-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]methylazanium Traditional Name: [(1S,3S)-3-methyl-1-(4-phenylpiperazino)cyclohexyl]methylammonium Formula: C18H30N3+ MolecularWeight: 288.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C[NH3+])N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@](C1)(C[NH3+])N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H29N3/c1-16-6-5-9-18(14-16,15-19)21-12-10-20(11-13-21)17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15,19H2,1H3/p+1/t16-,18-/m0/s1