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

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: [(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: [(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: [(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-18-5-2-3-7-21(18)24-15-13-23(14-16-24)20-6-4-10-25(17-20)22(27)19-8-11-26(28)12-9-19/h2-3,5,7-9,11-12,20H,4,6,10,13-17H2,1H3/p+1/t20-/m0/s1