(3,4-dimethoxyphenyl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[1-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[1-[3-(4-phenylbutanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[3-(4-phenylbutanoylamino)phenyl]-4-piperidyl]-veratryl-ammonium Formula: C30H38N3O3+ MolecularWeight: 488.64102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CC=C4)OC

InChI

InChI=1S/C30H37N3O3/c1-35-28-15-14-24(20-29(28)36-2)22-31-25-16-18-33(19-17-25)27-12-7-11-26(21-27)32-30(34)13-6-10-23-8-4-3-5-9-23/h3-5,7-9,11-12,14-15,20-21,25,31H,6,10,13,16-19,22H2,1-2H3,(H,32,34)/p+1