N-(3-methylphenyl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-methylphenyl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(m-tolyl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(3-methylphenyl)-3-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-methylphenyl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(m-tolyl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propionamide Formula: C19H29N2OS+ MolecularWeight: 333.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C3CCSC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)[C@H]3CCSC3

InChI

InChI=1S/C19H28N2OS/c1-15-3-2-4-17(13-15)20-19(22)6-5-16-7-10-21(11-8-16)18-9-12-23-14-18/h2-4,13,16,18H,5-12,14H2,1H3,(H,20,22)/p+1/t18-/m0/s1