dimethyl-[(1S)-2-[(4-piperidin-1-ylcarbonylphenyl)methylcarbamoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(4-piperidin-1-ylcarbonylphenyl)methylcarbamoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[4-(piperidine-1-carbonyl)phenyl]methylcarbamoylamino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[[4-[oxo(1-piperidinyl)methyl]phenyl]methylamino]methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[4-(piperidine-1-carbonyl)phenyl]methylcarbamoylamino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[4-(piperidine-1-carbonyl)benzyl]carbamoylamino]-1-(3-thienyl)ethyl]ammonium Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCC2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCC2)C3=CSC=C3

InChI

InChI=1S/C22H30N4O2S/c1-25(2)20(19-10-13-29-16-19)15-24-22(28)23-14-17-6-8-18(9-7-17)21(27)26-11-4-3-5-12-26/h6-10,13,16,20H,3-5,11-12,14-15H2,1-2H3,(H2,23,24,28)/p+1/t20-/m1/s1