1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]-4-(1,2,4-triazol-1-yl)butan-1-one Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCN2C=NC=N2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCCN2C=NC=N2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H30N6O/c28-21(9-5-11-27-18-22-17-23-27)26-10-4-8-20(16-26)25-14-12-24(13-15-25)19-6-2-1-3-7-19/h1-3,6-7,17-18,20H,4-5,8-16H2/p+1/t20-/m0/s1