N-[7-acetamido-10-[(pyridin-1-ium-2-ylamino)methyl]phenothiazin-3-yl]ethanamide

Systemtic Name: N-[7-acetamido-10-[(pyridin-1-ium-2-ylamino)methyl]phenothiazin-3-yl]ethanamide Openeye Name: N-[7-acetamido-10-[(pyridin-1-ium-2-ylamino)methyl]phenothiazin-3-yl]acetamide CAS Name: N-[7-acetamido-10-[(2-pyridin-1-iumylamino)methyl]-3-phenothiazinyl]acetamide IUPAC Name: N-[7-acetamido-10-[(pyridin-1-ium-2-ylamino)methyl]phenothiazin-3-yl]acetamide Traditional Name: N-[7-acetamido-10-[(pyridin-1-ium-2-ylamino)methyl]phenothiazin-3-yl]acetamide Formula: C22H22N5O2S+ MolecularWeight: 420.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)NC(=O)C)CNC4=CC=CC=[NH+]4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)NC(=O)C)CNC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H21N5O2S/c1-14(28)25-16-6-8-18-20(11-16)30-21-12-17(26-15(2)29)7-9-19(21)27(18)13-24-22-5-3-4-10-23-22/h3-12H,13H2,1-2H3,(H,23,24)(H,25,28)(H,26,29)/p+1