(4-chloranyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium

Systemtic Name: (4-chloranyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: (4-chloro-2-pyrrolidin-1-yl-thiazol-5-yl)methyl-[(3S)-8-methoxychroman-3-yl]ammonium CAS Name: [4-chloro-2-(1-pyrrolidinyl)-5-thiazolyl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: (4-chloro-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: (4-chloro-2-pyrrolidino-thiazol-5-yl)methyl-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C18H23ClN3O2S+ MolecularWeight: 380.91212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CC3=C(N=C(S3)N4CCCC4)Cl

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CC3=C(N=C(S3)N4CCCC4)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-23-14-6-4-5-12-9-13(11-24-16(12)14)20-10-15-17(19)21-18(25-15)22-7-2-3-8-22/h4-6,13,20H,2-3,7-11H2,1H3/p+1/t13-/m0/s1