4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-4-(m-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-methylphenyl)methyl]-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(3-methylbenzyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C23H34N4O2S+2 MolecularWeight: 430.60666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C23H32N4O2S/c1-19-4-2-5-20(16-19)18-25-7-9-27(10-8-25)23(28)24-17-21(22-6-3-15-30-22)26-11-13-29-14-12-26/h2-6,15-16,21H,7-14,17-18H2,1H3,(H,24,28)/p+2/t21-/m1/s1