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

Systemtic Name: 2H-benzotriazol-5-yl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: 2H-benzotriazol-5-yl-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC5=NNN=C5C=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC5=NNN=C5C=C4

InChI

InChI=1S/C23H28N6O/c1-17-5-2-3-7-22(17)28-13-11-27(12-14-28)19-6-4-10-29(16-19)23(30)18-8-9-20-21(15-18)25-26-24-20/h2-3,5,7-9,15,19H,4,6,10-14,16H2,1H3,(H,24,25,26)/p+1/t19-/m0/s1