3-[2,3-bis(methoxycarbonyl)-5-methyl-indol-1-yl]propylazanium

Systemtic Name: 3-[2,3-bis(methoxycarbonyl)-5-methyl-indol-1-yl]propylazanium Openeye Name: 3-[2,3-bis(methoxycarbonyl)-5-methyl-indol-1-yl]propylammonium CAS Name: 3-[2,3-bis(methoxycarbonyl)-5-methyl-1-indolyl]propylammonium IUPAC Name: 3-[2,3-bis(methoxycarbonyl)-5-methylindol-1-yl]propylazanium Traditional Name: 3-(2,3-dicarbomethoxy-5-methyl-indol-1-yl)propylammonium Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)OC)C(=O)OC)CCC[NH3+]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)OC)C(=O)OC)CCC[NH3+]

InChI

InChI=1S/C16H20N2O4/c1-10-5-6-12-11(9-10)13(15(19)21-2)14(16(20)22-3)18(12)8-4-7-17/h5-6,9H,4,7-8,17H2,1-3H3/p+1