N-[2,6-di(propan-2-yl)phenyl]-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: N-(2,6-diisopropylphenyl)-3-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propanamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-3-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propanamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-(2,6-diisopropylphenyl)-3-[4-(3-thenyl)piperazin-4-ium-1-yl]propionamide Formula: C24H36N3OS+ MolecularWeight: 414.62714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCN2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCN2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C24H35N3OS/c1-18(2)21-6-5-7-22(19(3)4)24(21)25-23(28)8-10-26-11-13-27(14-12-26)16-20-9-15-29-17-20/h5-7,9,15,17-19H,8,10-14,16H2,1-4H3,(H,25,28)/p+1