1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]butan-1-one

Systemtic Name: 1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]butan-1-one Openeye Name: 1-[(5R)-9-(m-tolylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]butan-1-one CAS Name: 1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-1-butanone IUPAC Name: 1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]butan-1-one Traditional Name: 1-[(5R)-9-(3-methylbenzyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]butan-1-one Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2(C1)CCC[NH+](C2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCCC(=O)N1CC[C@@]2(C1)CCC[NH+](C2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C20H30N2O/c1-3-6-19(23)22-12-10-20(16-22)9-5-11-21(15-20)14-18-8-4-7-17(2)13-18/h4,7-8,13H,3,5-6,9-12,14-16H2,1-2H3/p+1/t20-/m0/s1