1-[(2R)-4-phenylbutan-2-yl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea

Systemtic Name: 1-[(2R)-4-phenylbutan-2-yl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1R)-1-methyl-3-phenyl-propyl]urea CAS Name: 1-[(2R)-4-phenylbutan-2-yl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(2R)-4-phenylbutan-2-yl]urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1R)-1-methyl-3-phenyl-propyl]urea Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-19(12-13-20-8-4-2-5-9-20)24-23(27)25-22-14-16-26(17-15-22)18-21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3,(H2,24,25,27)/p+1/t19-/m1/s1