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

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyridin-2-yl-methanone Openeye Name: [(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-(2-pyridyl)methanone CAS Name: [(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(2-pyridinyl)methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone Traditional Name: [(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]-(2-pyridyl)methanone Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C22H28N4O/c1-18-7-2-3-10-21(18)25-15-13-24(14-16-25)19-8-6-12-26(17-19)22(27)20-9-4-5-11-23-20/h2-5,7,9-11,19H,6,8,12-17H2,1H3/p+1/t19-/m0/s1