(3R,4R)-1-[(7-chloranyl-3-methyl-1H-indol-2-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(7-chloranyl-3-methyl-1H-indol-2-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C20H31ClN4O+2 MolecularWeight: 378.93934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=CC=C2Cl)C[NH+]3CCC(C(C3)O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(NC2=C1C=CC=C2Cl)C[NH+]3CC[C@H]([C@@H](C3)O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H29ClN4O/c1-14-15-4-3-5-16(21)20(15)22-17(14)12-24-7-6-18(19(26)13-24)25-10-8-23(2)9-11-25/h3-5,18-19,22,26H,6-13H2,1-2H3/p+2/t18-,19-/m1/s1