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

Systemtic Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-piperidyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1-ethyl-4-piperidin-1-iumyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[(3S)-1-(1-ethylpiperidin-1-ium-4-yl)-3-piperidyl]piperazin-4-ium Formula: C22H37ClN4+2 MolecularWeight: 393.00898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H35ClN4/c1-2-24-11-8-20(9-12-24)27-10-4-7-22(18-27)26-15-13-25(14-16-26)21-6-3-5-19(23)17-21/h3,5-6,17,20,22H,2,4,7-16,18H2,1H3/p+2/t22-/m0/s1