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

Systemtic Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-2-benzimidazolyl)methyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropylpiperidin-1-ium-4-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C23H39N5O+2 MolecularWeight: 401.58866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CC[NH+](CC2CCO)CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C23H37N5O/c1-18(2)27-11-8-19(9-12-27)28-14-13-26(16-20(28)10-15-29)17-23-24-21-6-4-5-7-22(21)25(23)3/h4-7,18-20,29H,8-17H2,1-3H3/p+2/t20-/m0/s1