1-[(1R)-1,2-diphenylethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]urea

Systemtic Name: 1-[(1R)-1,2-diphenylethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]urea Openeye Name: 1-[(1R)-1,2-diphenylethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]urea CAS Name: 1-[(1R)-1,2-diphenylethyl]-3-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-[(1R)-1,2-diphenylethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]urea Traditional Name: 1-[(1R)-1,2-diphenylethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]urea Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)N[C@H](CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-30-14-16-31(17-15-30)25-13-12-22(19-27-25)20-28-26(32)29-24(23-10-6-3-7-11-23)18-21-8-4-2-5-9-21/h2-13,19,24H,14-18,20H2,1H3,(H2,28,29,32)/p+1/t24-/m1/s1