[2-[[2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)acetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-(3-ethoxycarbonyl-2,5-dimethyl-1-pyrrolyl)-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-(3-carbethoxy-2,5-dimethyl-pyrrol-1-yl)acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCC2=CC=CC=C2C[NH+](C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCC2=CC=CC=C2C[NH+](C)C)C

InChI

InChI=1S/C21H29N3O3/c1-6-27-21(26)19-11-15(2)24(16(19)3)14-20(25)22-12-17-9-7-8-10-18(17)13-23(4)5/h7-11H,6,12-14H2,1-5H3,(H,22,25)/p+1