butyl-methyl-[(Z,2R)-1-oxidanylidene-4-phenyl-1-piperazin-1-yl-but-3-en-2-yl]azanium

Systemtic Name: butyl-methyl-[(Z,2R)-1-oxidanylidene-4-phenyl-1-piperazin-1-yl-but-3-en-2-yl]azanium Openeye Name: butyl-methyl-[(Z,1R)-3-phenyl-1-(piperazine-1-carbonyl)allyl]ammonium CAS Name: butyl-methyl-[(Z,2R)-1-oxo-4-phenyl-1-(1-piperazinyl)but-3-en-2-yl]ammonium IUPAC Name: butyl-methyl-[(Z,2R)-1-oxo-4-phenyl-1-piperazin-1-ylbut-3-en-2-yl]azanium Traditional Name: butyl-methyl-[(Z,1R)-3-phenyl-1-(piperazine-1-carbonyl)allyl]ammonium Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C=CC1=CC=CC=C1)C(=O)N2CCNCC2

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O/c1-3-4-14-21(2)18(11-10-17-8-6-5-7-9-17)19(23)22-15-12-20-13-16-22/h5-11,18,20H,3-4,12-16H2,1-2H3/p+1/b11-10-/t18-/m1/s1