N-[(4-dimethylaminophenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-4-(2-methoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C18H31N4O2+ MolecularWeight: 335.46434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)N2CCC[NH+](CC2)CCOC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)N2CCC[NH+](CC2)CCOC

InChI

InChI=1S/C18H30N4O2/c1-20(2)17-7-5-16(6-8-17)15-19-18(23)22-10-4-9-21(11-12-22)13-14-24-3/h5-8H,4,9-15H2,1-3H3,(H,19,23)/p+1