1-(2-methyl-4-nitro-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-methyl-4-nitro-phenyl)urea CAS Name: 1-(2-methyl-4-nitrophenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-methyl-4-nitrophenyl)urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(2-methyl-4-nitro-phenyl)urea Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3/c1-15-13-18(24(26)27)7-8-19(15)22-20(25)21-17-9-11-23(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H2,21,22,25)/p+1