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

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone Openeye Name: (5-methylpyrazin-2-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: [(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(5-methyl-2-pyrazinyl)methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone Traditional Name: (5-methylpyrazin-2-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c1-17-6-3-4-8-21(17)26-12-10-25(11-13-26)19-7-5-9-27(16-19)22(28)20-15-23-18(2)14-24-20/h3-4,6,8,14-15,19H,5,7,9-13,16H2,1-2H3/p+1/t19-/m0/s1