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

Systemtic Name: 1-(3-chlorophenyl)-4-[(3S)-1-(phenylmethyl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-[(3S)-1-benzyl-3-piperidyl]-4-(3-chlorophenyl)piperazin-1-ium CAS Name: 1-(3-chlorophenyl)-4-[(3S)-1-(phenylmethyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-[(3S)-1-benzylpiperidin-3-yl]-4-(3-chlorophenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-benzyl-3-piperidyl]-4-(3-chlorophenyl)piperazin-1-ium Formula: C22H29ClN3+ MolecularWeight: 370.93876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3/c23-20-8-4-9-21(16-20)25-12-14-26(15-13-25)22-10-5-11-24(18-22)17-19-6-2-1-3-7-19/h1-4,6-9,16,22H,5,10-15,17-18H2/p+1/t22-/m0/s1