1-(2-cyanoethyl)-3-(2-methoxyphenyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea

Systemtic Name: 1-(2-cyanoethyl)-3-(2-methoxyphenyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea CAS Name: 1-(2-cyanoethyl)-3-(2-methoxyphenyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N(CCC#N)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N(CCC#N)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2/c1-29-22-11-6-5-10-21(22)25-23(28)27(15-7-14-24)20-12-16-26(17-13-20)18-19-8-3-2-4-9-19/h2-6,8-11,20H,7,12-13,15-18H2,1H3,(H,25,28)/p+1