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

Systemtic Name: (Z,2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-1-piperazin-1-yl-but-3-en-1-one Openeye Name: (Z,2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-1-piperazin-1-yl-but-3-en-1-one CAS Name: (Z,2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-4-phenyl-1-(1-piperazinyl)-3-buten-1-one IUPAC Name: (Z,2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-1-piperazin-1-ylbut-3-en-1-one Traditional Name: (Z,2S)-2-[(3S)-3-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:

CC1CCC[NH+](C1)C(C=CC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](/C=C\C2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C20H29N3O/c1-17-6-5-13-23(16-17)19(10-9-18-7-3-2-4-8-18)20(24)22-14-11-21-12-15-22/h2-4,7-10,17,19,21H,5-6,11-16H2,1H3/p+1/b10-9-/t17-,19-/m0/s1