[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone

Systemtic Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone Openeye Name: (3-allyloxyphenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: [(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(3-prop-2-enoxyphenyl)methanone IUPAC Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone Traditional Name: (3-allyloxyphenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC(=CC=C4)OCC=C

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC(=CC=C4)OCC=C

InChI

InChI=1S/C26H33N3O3/c1-3-18-32-23-10-6-8-21(19-23)26(30)29-13-7-9-22(20-29)27-14-16-28(17-15-27)24-11-4-5-12-25(24)31-2/h3-6,8,10-12,19,22H,1,7,9,13-18,20H2,2H3/p+1/t22-/m0/s1