3-(1-methylcyclopropyl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(1-methylcyclopropyl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(1-methylcyclopropyl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]propan-1-one CAS Name: 3-(1-methylcyclopropyl)-1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(1-methylcyclopropyl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(1-methylcyclopropyl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]propan-1-one Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)CCC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1(CC1)CCC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H33N3O/c1-22(11-12-22)10-9-21(26)25-13-5-8-20(18-25)24-16-14-23(15-17-24)19-6-3-2-4-7-19/h2-4,6-7,20H,5,8-18H2,1H3/p+1/t20-/m0/s1