4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-[(2R)-6-methylhept-5-en-2-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-[(2R)-6-methylhept-5-en-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(1R)-1,5-dimethylhex-4-enyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(2R)-6-methylhept-5-en-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(2R)-6-methylhept-5-en-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(1R)-1,5-dimethylhex-4-enyl]-1,4-diazepan-1-ium-5-one Formula: C21H30ClN2O3+ MolecularWeight: 393.9275

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)[NH+]1CCC(=O)N(CC1)CC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

C[C@H](CCC=C(C)C)[NH+]1CCC(=O)N(CC1)CC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C21H29ClN2O3/c1-15(2)5-4-6-16(3)23-8-7-21(25)24(10-9-23)13-17-11-19-20(12-18(17)22)27-14-26-19/h5,11-12,16H,4,6-10,13-14H2,1-3H3/p+1/t16-/m1/s1