1-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-4-(2-methylphenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)-3-piperidyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)-3-piperidinyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)-3-piperidyl]-4-(o-tolyl)piperazin-1-ium Formula: C20H30N5+ MolecularWeight: 340.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CN=CN4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CN=CN4

InChI

InChI=1S/C20H29N5/c1-17-5-2-3-7-20(17)25-11-9-24(10-12-25)19-6-4-8-23(15-19)14-18-13-21-16-22-18/h2-3,5,7,13,16,19H,4,6,8-12,14-15H2,1H3,(H,21,22)/p+1/t19-/m0/s1