(Z,2R)-2-(4-methylpiperidin-1-ium-1-yl)-4-phenyl-1-piperazin-1-yl-but-3-en-1-one

Systemtic Name: (Z,2R)-2-(4-methylpiperidin-1-ium-1-yl)-4-phenyl-1-piperazin-1-yl-but-3-en-1-one Openeye Name: (Z,2R)-2-(4-methylpiperidin-1-ium-1-yl)-4-phenyl-1-piperazin-1-yl-but-3-en-1-one CAS Name: (Z,2R)-2-(4-methyl-1-piperidin-1-iumyl)-4-phenyl-1-(1-piperazinyl)-3-buten-1-one IUPAC Name: (Z,2R)-2-(4-methylpiperidin-1-ium-1-yl)-4-phenyl-1-piperazin-1-ylbut-3-en-1-one Traditional Name: (Z,2R)-2-(4-methylpiperidin-1-ium-1-yl)-4-phenyl-1-piperazino-but-3-en-1-one Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C=CC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](/C=C\C2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C20H29N3O/c1-17-9-13-22(14-10-17)19(8-7-18-5-3-2-4-6-18)20(24)23-15-11-21-12-16-23/h2-8,17,19,21H,9-16H2,1H3/p+1/b8-7-/t19-/m1/s1