1-propan-2-yl-3-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]methyl]urea

Systemtic Name: 1-propan-2-yl-3-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]methyl]urea Openeye Name: 1-isopropyl-3-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]methyl]urea CAS Name: 1-[[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-propan-2-yl-3-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]methyl]urea Traditional Name: 1-isopropyl-3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzyl]urea Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27N5O2/c1-16(2)24-21(28)23-15-17-6-8-18(9-7-17)20(27)26-13-11-25(12-14-26)19-5-3-4-10-22-19/h3-10,16H,11-15H2,1-2H3,(H2,23,24,28)/p+1