4-(2-methoxyethylamino)-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-(2-methoxyethylamino)-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-(2-methoxyethylamino)-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(2-methoxyethylamino)-3-nitro-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-(2-methoxyethylamino)-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-(2-methoxyethylamino)-3-nitro-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-28-11-8-21-16-7-6-15(13-17(16)24(26)27)20(25)22-14-18(19-5-4-12-29-19)23-9-2-3-10-23/h4-7,12-13,18,21H,2-3,8-11,14H2,1H3,(H,22,25)/p+1/t18-/m0/s1