methyl-(phenylmethyl)-[(3S)-1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-[4-(2-thienyl)butanoyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-(1-oxo-4-thiophen-2-ylbutyl)-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[4-(2-thienyl)butanoyl]-3-piperidyl]ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)CCCC3=CC=CS3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H28N2OS/c1-22(16-18-8-3-2-4-9-18)19-10-6-14-23(17-19)21(24)13-5-11-20-12-7-15-25-20/h2-4,7-9,12,15,19H,5-6,10-11,13-14,16-17H2,1H3/p+1/t19-/m0/s1