N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,1-dimethyl-indole-2-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,1-dimethyl-indole-2-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N,1-dimethyl-indole-2-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N,1-dimethyl-2-indolecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,1-dimethylindole-2-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N,1-dimethyl-indole-2-carboxamide Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)N(C)C3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)N(C)[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C25H29N3O/c1-26(25(29)24-16-20-10-5-6-12-23(20)27(24)2)21-11-7-13-28(17-21)22-14-18-8-3-4-9-19(18)15-22/h3-6,8-10,12,16,21-22H,7,11,13-15,17H2,1-2H3/p+1/t21-/m0/s1