ethyl 5-methoxy-1,2-dimethyl-4-(2-piperidin-1-ium-1-ylethanoylamino)indole-3-carboxylate

Systemtic Name: ethyl 5-methoxy-1,2-dimethyl-4-(2-piperidin-1-ium-1-ylethanoylamino)indole-3-carboxylate Openeye Name: ethyl 5-methoxy-1,2-dimethyl-4-[(2-piperidin-1-ium-1-ylacetyl)amino]indole-3-carboxylate CAS Name: 5-methoxy-1,2-dimethyl-4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-1,2-dimethyl-4-[(2-piperidin-1-ium-1-ylacetyl)amino]indole-3-carboxylate Traditional Name: 5-methoxy-1,2-dimethyl-4-[(2-piperidin-1-ium-1-ylacetyl)amino]indole-3-carboxylic acid ethyl ester Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)C[NH+]3CCCCC3)C)C

InChI

InChI=1S/C21H29N3O4/c1-5-28-21(26)18-14(2)23(3)15-9-10-16(27-4)20(19(15)18)22-17(25)13-24-11-7-6-8-12-24/h9-10H,5-8,11-13H2,1-4H3,(H,22,25)/p+1