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

Systemtic Name: 2-imidazol-1-yl-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 2-imidazol-1-yl-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 2-(1-imidazolyl)-1-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 2-imidazol-1-yl-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 2-imidazol-1-yl-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]ethanone Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CN4C=CN=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CN4C=CN=C4

InChI

InChI=1S/C21H29N5O/c1-18-5-2-3-7-20(18)25-13-11-24(12-14-25)19-6-4-9-26(15-19)21(27)16-23-10-8-22-17-23/h2-3,5,7-8,10,17,19H,4,6,9,11-16H2,1H3/p+1/t19-/m0/s1