3-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C22H35N2O+ MolecularWeight: 343.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCCC3

InChI

InChI=1S/C22H34N2O/c1-18(2)21-8-5-20(6-9-21)17-23-15-11-19(12-16-23)7-10-22(25)24-13-3-4-14-24/h5-6,8-9,18-19H,3-4,7,10-17H2,1-2H3/p+1