[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

Systemtic Name: [(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: [(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]-(2,3,4-trimethoxyphenyl)methanone Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C25H33N3O4/c1-30-22-12-11-21(23(31-2)24(22)32-3)25(29)28-13-7-10-20(18-28)27-16-14-26(15-17-27)19-8-5-4-6-9-19/h4-6,8-9,11-12,20H,7,10,13-18H2,1-3H3/p+1/t20-/m0/s1