1-(4-nitrophenyl)-3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]thiourea Openeye Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-(4-nitrophenyl)-3-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]thiourea IUPAC Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(4-nitrophenyl)thiourea Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c24-23(25)17-8-6-16(7-9-17)21-19(27)20-12-18-14-22(10-11-26-18)13-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H2,20,21,27)/p+1/t18-/m0/s1