1-methyl-1-(4-methylphenyl)-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]urea

Systemtic Name: 1-methyl-1-(4-methylphenyl)-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]urea Openeye Name: 1-methyl-1-(p-tolyl)-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]urea CAS Name: 1-methyl-1-(4-methylphenyl)-3-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]urea IUPAC Name: 1-methyl-1-(4-methylphenyl)-3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]urea Traditional Name: 1-methyl-1-(p-tolyl)-3-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]urea Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C(=O)NCCN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C(=O)NCCN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H27N5O/c1-17-6-8-18(9-7-17)23(2)20(26)22-11-12-24-13-15-25(16-14-24)19-5-3-4-10-21-19/h3-10H,11-16H2,1-2H3,(H,22,26)/p+1