[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-[(1-methyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C24H29N3O2/c1-17(2)29-20-10-6-8-18(14-20)24(28)19-9-7-13-27(15-19)16-23-25-21-11-4-5-12-22(21)26(23)3/h4-6,8,10-12,14,17,19H,7,9,13,15-16H2,1-3H3/p+1/t19-/m0/s1