N-[2-[5-methoxy-1-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propyl]indol-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[5-methoxy-1-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propyl]indol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[1-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]-5-methoxy-indol-3-yl]ethyl]acetamide CAS Name: N-[2-[1-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propyl]-5-methoxy-3-indolyl]ethyl]acetamide IUPAC Name: N-[2-[1-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]-5-methoxyindol-3-yl]ethyl]acetamide Traditional Name: N-[2-[1-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]-5-methoxy-indol-3-yl]ethyl]acetamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)CC(CN3CC[NH+](CC3)C)O

Isomeric SMILES

CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C[C@@H](CN3CC[NH+](CC3)C)O

InChI

InChI=1S/C21H32N4O3/c1-16(26)22-7-6-17-13-25(21-5-4-19(28-3)12-20(17)21)15-18(27)14-24-10-8-23(2)9-11-24/h4-5,12-13,18,27H,6-11,14-15H2,1-3H3,(H,22,26)/p+1/t18-/m1/s1