1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-(4-methoxy-2,3-dimethyl-benzyl)-4-(2-piperidin-1-ium-1-ylethyl)-1,4-diazepan-1-ium-5-one Formula: C22H37N3O2+2 MolecularWeight: 375.54808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC(=O)N(CC2)CC[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC(=O)N(CC2)CC[NH+]3CCCCC3

InChI

InChI=1S/C22H35N3O2/c1-18-19(2)21(27-3)8-7-20(18)17-24-12-9-22(26)25(16-14-24)15-13-23-10-5-4-6-11-23/h7-8H,4-6,9-17H2,1-3H3/p+2