(5R)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(4-methylpentyl)azepan-2-one

Systemtic Name: (5R)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(4-methylpentyl)azepan-2-one Openeye Name: (5R)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-isohexyl-azepan-2-one CAS Name: (5R)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(4-methylpentyl)-2-azepanone IUPAC Name: (5R)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(4-methylpentyl)azepan-2-one Traditional Name: (5R)-1-isohexyl-5-(4-piperonylpiperazin-1-ium-1-yl)azepan-2-one Formula: C24H38N3O3+ MolecularWeight: 416.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCC(CCC1=O)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCCN1CC[C@@H](CCC1=O)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H37N3O3/c1-19(2)4-3-10-27-11-9-21(6-8-24(27)28)26-14-12-25(13-15-26)17-20-5-7-22-23(16-20)30-18-29-22/h5,7,16,19,21H,3-4,6,8-15,17-18H2,1-2H3/p+1/t21-/m1/s1