1-(3-chlorophenyl)-4-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(3S)-1-(3-pyridylmethyl)-3-piperidyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(3S)-1-(3-pyridinylmethyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[(3S)-1-(3-pyridylmethyl)-3-piperidyl]piperazin-4-ium Formula: C21H28ClN4+ MolecularWeight: 371.92682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H27ClN4/c22-19-5-1-6-20(14-19)25-10-12-26(13-11-25)21-7-3-9-24(17-21)16-18-4-2-8-23-15-18/h1-2,4-6,8,14-15,21H,3,7,9-13,16-17H2/p+1/t21-/m0/s1