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

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-chloro-3-nitro-phenyl)urea CAS Name: 1-(4-chloro-3-nitrophenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-chloro-3-nitrophenyl)urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(4-chloro-3-nitro-phenyl)urea Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN4O3/c20-17-7-6-16(12-18(17)24(26)27)22-19(25)21-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H2,21,22,25)/p+1