1-(3-chlorophenyl)-4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]piperazine Formula: C20H31ClN3S2+ MolecularWeight: 413.06324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CSCCSC2)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H30ClN3S2/c21-17-3-1-4-18(13-17)22-7-9-23(10-8-22)19-5-2-6-24(14-19)20-15-25-11-12-26-16-20/h1,3-4,13,19-20H,2,5-12,14-16H2/p+1/t19-/m0/s1