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

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

CC1CCCC[NH+]1C(C=CC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O/c1-17-7-5-6-14-23(17)19(11-10-18-8-3-2-4-9-18)20(24)22-15-12-21-13-16-22/h2-4,8-11,17,19,21H,5-7,12-16H2,1H3/p+1/b11-10-/t17-,19-/m0/s1