(5R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)azepan-2-one

Systemtic Name: (5R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)azepan-2-one CAS Name: (5R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (5R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)azepan-2-one Traditional Name: (5R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)azepan-2-one Formula: C23H29ClN4O3+2 MolecularWeight: 444.95436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CC(=O)N(CC[C@@H]1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C23H27ClN4O3/c24-19-14-21-20(30-16-31-21)13-17(19)15-28-8-6-18(4-5-23(28)29)26-9-11-27(12-10-26)22-3-1-2-7-25-22/h1-3,7,13-14,18H,4-6,8-12,15-16H2/p+2/t18-/m1/s1