1-[(2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3-propan-2-yl-cyclopentan-1-ol iodide

Systemtic Name: 1-[(2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3-propan-2-yl-cyclopentan-1-ol iodide Openeye Name: 3-isopropyl-1-[(2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium-1-yl)methyl]cyclopentanol iodide CAS Name: 1-[(2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3-propan-2-yl-1-cyclopentanol iodide IUPAC Name: 1-[(2-methyl-9,9a-dihydro-4aH-pyrido[3,4-b]indol-2-ium-1-yl)methyl]-3-propan-2-ylcyclopentan-1-ol iodide Traditional Name: 3-isopropyl-1-[(2-methyl-9,9a-dihydro-4aH-$b-carbolin-2-ium-1-yl)methyl]cyclopentanol iodide Formula: C21H29IN2O MolecularWeight: 452.37223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(C1)(CC2=[N+](C=CC3C2NC4=CC=CC=C34)C)O.[I-]

Isomeric SMILES

CC(C)C1CCC(C1)(CC2=[N+](C=CC3C2NC4=CC=CC=C34)C)O.[I-]

InChI

InChI=1S/C21H29N2O.HI/c1-14(2)15-8-10-21(24,12-15)13-19-20-17(9-11-23(19)3)16-6-4-5-7-18(16)22-20;/h4-7,9,11,14-15,17,20,22,24H,8,10,12-13H2,1-3H3;1H/q+1;/p-1