N-[(2S)-1-oxidanylidene-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: N-[(2S)-1-oxo-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c31-24(29-13-7-8-14-29)20-28-15-17-30(18-16-28)26(33)23(19-21-9-3-1-4-10-21)27-25(32)22-11-5-2-6-12-22/h1-6,9-12,23H,7-8,13-20H2,(H,27,32)/p+1/t23-/m0/s1