(5-chloranyl-1,3-dimethyl-indol-2-yl)-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: (5-chloranyl-1,3-dimethyl-indol-2-yl)-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: (5-chloro-1,3-dimethyl-indol-2-yl)-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: (5-chloro-1,3-dimethyl-2-indolyl)-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: (5-chloro-1,3-dimethylindol-2-yl)-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: (5-chloro-1,3-dimethyl-indol-2-yl)-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C21H29ClN3O+ MolecularWeight: 374.92746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)Cl)C)C(=O)N3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)Cl)C)C(=O)N3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C21H28ClN3O/c1-15-18-14-16(22)6-7-19(18)23(2)20(15)21(26)25-12-8-17(9-13-25)24-10-4-3-5-11-24/h6-7,14,17H,3-5,8-13H2,1-2H3/p+1