4-(cyclopropylmethyl)-1-[(4-methoxy-3-methyl-phenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(cyclopropylmethyl)-1-[(4-methoxy-3-methyl-phenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclopropylmethyl)-1-[(4-methoxy-3-methyl-phenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclopropylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclopropylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclopropylmethyl)-1-(4-methoxy-3-methyl-benzyl)-1,4-diazepan-1-ium-5-one Formula: C18H27N2O2+ MolecularWeight: 303.41918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCC(=O)N(CC2)CC3CC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCC(=O)N(CC2)CC3CC3)OC

InChI

InChI=1S/C18H26N2O2/c1-14-11-16(5-6-17(14)22-2)12-19-8-7-18(21)20(10-9-19)13-15-3-4-15/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3/p+1