[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium

Systemtic Name: [2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Openeye Name: [2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium CAS Name: [2-[(5-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Traditional Name: [2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium Formula: C21H31N3OS+2 MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)C[NH2+]CC[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)C[NH2+]CC[NH+]3CCCC3

InChI

InChI=1S/C21H29N3OS/c1-18-9-10-20(26-18)17-24(16-19-7-3-2-4-8-19)21(25)15-22-11-14-23-12-5-6-13-23/h2-4,7-10,22H,5-6,11-17H2,1H3/p+2