3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2R)-2-(p-tolyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(2R)-2-(4-methylphenyl)-1-pyrrolidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2R)-2-(p-tolyl)pyrrolidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C23H32N4O+2 MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCC[NH+]2CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CCC[NH+]2CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H30N4O/c1-19-7-9-20(10-8-19)21-5-4-13-25(21)14-11-23(28)27-17-15-26(16-18-27)22-6-2-3-12-24-22/h2-3,6-10,12,21H,4-5,11,13-18H2,1H3/p+2/t21-/m1/s1