butyl-[(1S)-1-(4-methoxyphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-methyl-azanium

Systemtic Name: butyl-[(1S)-1-(4-methoxyphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-methyl-azanium Openeye Name: butyl-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-piperazin-1-yl-ethyl]-methyl-ammonium CAS Name: butyl-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-(1-piperazinyl)ethyl]-methylammonium IUPAC Name: butyl-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-piperazin-1-ylethyl]-methylazanium Traditional Name: butyl-[(1S)-2-keto-1-(4-methoxyphenyl)-2-piperazino-ethyl]-methyl-ammonium Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C1=CC=C(C=C1)OC)C(=O)N2CCNCC2

Isomeric SMILES

CCCC[NH+](C)[C@@H](C1=CC=C(C=C1)OC)C(=O)N2CCNCC2

InChI

InChI=1S/C18H29N3O2/c1-4-5-12-20(2)17(15-6-8-16(23-3)9-7-15)18(22)21-13-10-19-11-14-21/h6-9,17,19H,4-5,10-14H2,1-3H3/p+1/t17-/m0/s1