[2-[1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-[(3,7-dimethyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C28H36N3O2+ MolecularWeight: 446.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C2C)C[NH+]3CCC(CC3)OC4=CC=CC=C4C(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=C2C)C[NH+]3CCC(CC3)OC4=CC=CC=C4C(=O)N5CCCCC5

InChI

InChI=1S/C28H35N3O2/c1-20-9-8-11-23-21(2)25(29-27(20)23)19-30-17-13-22(14-18-30)33-26-12-5-4-10-24(26)28(32)31-15-6-3-7-16-31/h4-5,8-12,22,29H,3,6-7,13-19H2,1-2H3/p+1