N-phenethyl-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-phenethyl-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-phenethyl-4-(2-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-phenethyl-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-phenethyl-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-phenethyl-4-(2-thenyl)piperazin-4-ium-1-carboxamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H23N3OS/c22-18(19-9-8-16-5-2-1-3-6-16)21-12-10-20(11-13-21)15-17-7-4-14-23-17/h1-7,14H,8-13,15H2,(H,19,22)/p+1