1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyrazin-2-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyrazin-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-pyrazin-2-yl-propan-1-one CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(2-pyrazinyl)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-3-pyrazin-2-yl-propan-1-one Formula: C22H29ClN5O+ MolecularWeight: 414.95156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=NC=CN=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC2=NC=CN=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H28ClN5O/c23-18-3-1-4-20(15-18)26-11-13-27(14-12-26)21-5-2-10-28(17-21)22(29)7-6-19-16-24-8-9-25-19/h1,3-4,8-9,15-16,21H,2,5-7,10-14,17H2/p+1/t21-/m0/s1