1-(3-methoxyphenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiourea Openeye Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-methoxyphenyl)thiourea CAS Name: 1-(3-methoxyphenyl)-3-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]thiourea IUPAC Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-methoxyphenyl)thiourea Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3OS/c1-23-18-9-5-8-16(12-18)20-19(24)21-17-10-11-22(14-17)13-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13-14H2,1H3,(H2,20,21,24)/p+1/t17-/m0/s1