2-[(2S)-4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-chlorobenzothiophen-2-yl)methyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-chlorobenzothiophen-2-yl)methyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Formula: C23H36ClN3OS+2 MolecularWeight: 438.06944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CC[NH+](CC2CCO)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H34ClN3OS/c1-17(2)26-10-7-18(8-11-26)27-13-12-25(15-19(27)9-14-28)16-22-23(24)20-5-3-4-6-21(20)29-22/h3-6,17-19,28H,7-16H2,1-2H3/p+2/t19-/m0/s1