1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-3-phenyl-prop-2-yn-1-one Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-30-24-12-10-22(11-13-24)26-16-18-27(19-17-26)23-8-5-15-28(20-23)25(29)14-9-21-6-3-2-4-7-21/h2-4,6-7,10-13,23H,5,8,15-20H2,1H3/p+1/t23-/m0/s1