[(3S)-3-(3-methoxy-4-oxidanyl-phenyl)-3-(4-phenylpiperazin-1-yl)propyl]azanium

Systemtic Name: [(3S)-3-(3-methoxy-4-oxidanyl-phenyl)-3-(4-phenylpiperazin-1-yl)propyl]azanium Openeye Name: [(3S)-3-(4-hydroxy-3-methoxy-phenyl)-3-(4-phenylpiperazin-1-yl)propyl]ammonium CAS Name: [(3S)-3-(4-hydroxy-3-methoxyphenyl)-3-(4-phenyl-1-piperazinyl)propyl]ammonium IUPAC Name: [(3S)-3-(4-hydroxy-3-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)propyl]azanium Traditional Name: [(3S)-3-(4-hydroxy-3-methoxy-phenyl)-3-(4-phenylpiperazino)propyl]ammonium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC[NH3+])N2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC[NH3+])N2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H27N3O2/c1-25-20-15-16(7-8-19(20)24)18(9-10-21)23-13-11-22(12-14-23)17-5-3-2-4-6-17/h2-8,15,18,24H,9-14,21H2,1H3/p+1/t18-/m0/s1