1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-4-phenyl-butan-1-one Openeye Name: 1-[(5R)-9-(m-tolylmethyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-4-phenyl-butan-1-one CAS Name: 1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-4-phenyl-1-butanone IUPAC Name: 1-[(5R)-9-[(3-methylphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-4-phenylbutan-1-one Traditional Name: 1-[(5R)-9-(3-methylbenzyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]-4-phenyl-butan-1-one Formula: C26H35N2O+ MolecularWeight: 391.5689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCCC3(C2)CCN(C3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC[C@@]3(C2)CCN(C3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O/c1-22-8-5-12-24(18-22)19-27-16-7-14-26(20-27)15-17-28(21-26)25(29)13-6-11-23-9-3-2-4-10-23/h2-5,8-10,12,18H,6-7,11,13-17,19-21H2,1H3/p+1/t26-/m0/s1