methyl 3-[3-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[3-[(3S)-4-(3-methoxyphenyl)-3-methyl-1-piperazin-1-iumyl]-1-oxopropyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[3-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-ium-1-yl]propanoylamino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C26H33N4O4+ MolecularWeight: 465.56462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC(=CC=C2)OC)CCC(=O)NC3=C(NC4=C3C=C(C=C4)C)C(=O)OC

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC(=CC=C2)OC)CCC(=O)NC3=C(NC4=C3C=C(C=C4)C)C(=O)OC

InChI

InChI=1S/C26H32N4O4/c1-17-8-9-22-21(14-17)24(25(27-22)26(32)34-4)28-23(31)10-11-29-12-13-30(18(2)16-29)19-6-5-7-20(15-19)33-3/h5-9,14-15,18,27H,10-13,16H2,1-4H3,(H,28,31)/p+1/t18-/m0/s1