N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H31N3O2/c1-4-18(2)21-10-5-6-11-22(21)24-23(27)17-25-12-14-26(15-13-25)19-8-7-9-20(16-19)28-3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1