3-[1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[(2S)-7-methoxytetralin-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[(2S)-7-methoxytetralin-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C23H35N2O2+ MolecularWeight: 371.5362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(C2)[NH+]3CCC(CC3)CCC(=O)N4CCCC4)C=C1

Isomeric SMILES

COC1=CC2=C(CC[C@@H](C2)[NH+]3CCC(CC3)CCC(=O)N4CCCC4)C=C1

InChI

InChI=1S/C23H34N2O2/c1-27-22-8-6-19-5-7-21(16-20(19)17-22)24-14-10-18(11-15-24)4-9-23(26)25-12-2-3-13-25/h6,8,17-18,21H,2-5,7,9-16H2,1H3/p+1/t21-/m0/s1