4-butoxy-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]benzamide

Systemtic Name: 4-butoxy-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]benzamide Openeye Name: 4-butoxy-N-[(4S)-1'-methylspiro[chromane-2,4'-piperidin-1-ium]-4-yl]benzamide CAS Name: 4-butoxy-N-[(4S)-1'-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidin-1-ium]yl]benzamide IUPAC Name: 4-butoxy-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]benzamide Traditional Name: 4-butoxy-N-[(4S)-1'-methylspiro[chroman-2,4'-piperidin-1-ium]-4-yl]benzamide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2CC3(CC[NH+](CC3)C)OC4=CC=CC=C24

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N[C@H]2CC3(CC[NH+](CC3)C)OC4=CC=CC=C24

InChI

InChI=1S/C25H32N2O3/c1-3-4-17-29-20-11-9-19(10-12-20)24(28)26-22-18-25(13-15-27(2)16-14-25)30-23-8-6-5-7-21(22)23/h5-12,22H,3-4,13-18H2,1-2H3,(H,26,28)/p+1/t22-/m0/s1