1-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Openeye Name: 1-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine CAS Name: 1-[(3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]-4-(2-methylphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Traditional Name: 1-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine Formula: C22H34N5+ MolecularWeight: 368.53886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C22H33N5/c1-3-25-12-10-23-22(25)18-24-11-6-8-20(17-24)26-13-15-27(16-14-26)21-9-5-4-7-19(21)2/h4-5,7,9-10,12,20H,3,6,8,11,13-18H2,1-2H3/p+1/t20-/m0/s1