[(3R)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone

Systemtic Name: [(3R)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone Openeye Name: (3-allyloxyphenyl)-[(3R)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methanone CAS Name: [(3R)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-(3-prop-2-enoxyphenyl)methanone IUPAC Name: [(3R)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone Traditional Name: (3-allyloxyphenyl)-[(3R)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methanone Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C(=O)N2CCC[C@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c1-2-18-30-24-12-6-8-21(19-24)25(29)28-13-7-11-23(20-28)27-16-14-26(15-17-27)22-9-4-3-5-10-22/h2-6,8-10,12,19,23H,1,7,11,13-18,20H2/p+1/t23-/m1/s1