1-(3,4-dimethoxyphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3,4-dimethoxyphenyl)urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3,4-dimethoxyphenyl)urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-(3,4-dimethoxyphenyl)urea Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H27N3O3/c1-26-19-9-8-18(14-20(19)27-2)23-21(25)22-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H2,22,23,25)/p+1